* Fix adaptive refinement (#571) --------- Co-authored-by: Dario Coscia <93731561+dario-coscia@users.noreply.github.com> * Remove collector * Fixes * Fixes * rm unnecessary comment * fix advection (#581) * Fix tutorial .html link (#580) * fix problem data collection for v0.1 (#584) * Message Passing Module (#516) * add deep tensor network block * add interaction network block * add radial field network block * add schnet block * add equivariant network block * fix + tests + doc files * fix egnn + equivariance/invariance tests Co-authored-by: Dario Coscia <dariocos99@gmail.com> --------- Co-authored-by: giovanni <giovanni.canali98@yahoo.it> Co-authored-by: AleDinve <giuseppealessio.d@student.unisi.it> * add type checker (#527) --------- Co-authored-by: Filippo Olivo <filippo@filippoolivo.com> Co-authored-by: Giovanni Canali <115086358+GiovanniCanali@users.noreply.github.com> Co-authored-by: giovanni <giovanni.canali98@yahoo.it> Co-authored-by: AleDinve <giuseppealessio.d@student.unisi.it>
156 lines
5.5 KiB
Python
156 lines
5.5 KiB
Python
"""
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RefinementInterface class for handling the refinement of points in a neural
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network training process.
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"""
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from abc import ABCMeta, abstractmethod
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from lightning.pytorch import Callback
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from ...utils import check_consistency
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from ...solver.physics_informed_solver import PINNInterface
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class RefinementInterface(Callback, metaclass=ABCMeta):
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"""
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Interface class of Refinement approaches.
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"""
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def __init__(self, sample_every, condition_to_update=None):
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"""
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Initializes the RefinementInterface.
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:param int sample_every: The number of epochs between each refinement.
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:param condition_to_update: The conditions to update during the
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refinement process. If None, all conditions with a domain will be
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updated. Default is None.
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:type condition_to_update: list(str) | tuple(str) | str
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"""
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# check consistency of the input
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check_consistency(sample_every, int)
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if condition_to_update is not None:
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if isinstance(condition_to_update, str):
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condition_to_update = [condition_to_update]
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if not isinstance(condition_to_update, (list, tuple)):
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raise ValueError(
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"'condition_to_update' must be iter of strings."
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)
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check_consistency(condition_to_update, str)
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# store
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self.sample_every = sample_every
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self._condition_to_update = condition_to_update
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self._dataset = None
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self._initial_population_size = None
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def on_train_start(self, trainer, solver):
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"""
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Called when the training begins. It initializes the conditions and
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dataset.
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:param ~lightning.pytorch.trainer.trainer.Trainer trainer: The trainer
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object.
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:param ~pina.solver.solver.SolverInterface solver: The solver
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object associated with the trainer.
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:raises RuntimeError: If the solver is not a PINNInterface.
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:raises RuntimeError: If the conditions do not have a domain to sample
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from.
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"""
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# check we have valid conditions names
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if self._condition_to_update is None:
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self._condition_to_update = [
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name
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for name, cond in solver.problem.conditions.items()
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if hasattr(cond, "domain")
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]
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for cond in self._condition_to_update:
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if cond not in solver.problem.conditions:
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raise RuntimeError(
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f"Condition '{cond}' not found in "
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f"{list(solver.problem.conditions.keys())}."
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)
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if not hasattr(solver.problem.conditions[cond], "domain"):
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raise RuntimeError(
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f"Condition '{cond}' does not contain a domain to "
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"sample from."
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)
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# check solver
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if not isinstance(solver, PINNInterface):
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raise RuntimeError(
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"Refinment strategies are currently implemented only "
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"for physics informed based solvers. Please use a Solver "
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"inheriting from 'PINNInterface'."
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)
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# store dataset
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self._dataset = trainer.datamodule.train_dataset
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# compute initial population size
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self._initial_population_size = self._compute_population_size(
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self._condition_to_update
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)
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return super().on_train_epoch_start(trainer, solver)
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def on_train_epoch_end(self, trainer, solver):
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"""
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Performs the refinement at the end of each training epoch (if needed).
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:param ~lightning.pytorch.trainer.trainer.Trainer: The trainer object.
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:param PINNInterface solver: The solver object.
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"""
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if (trainer.current_epoch % self.sample_every == 0) and (
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trainer.current_epoch != 0
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):
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self._update_points(solver)
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return super().on_train_epoch_end(trainer, solver)
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@abstractmethod
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def sample(self, current_points, condition_name, solver):
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"""
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Samples new points based on the condition.
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:param current_points: Current points in the domain.
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:param condition_name: Name of the condition to update.
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:param PINNInterface solver: The solver object.
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:return: New points sampled based on the R3 strategy.
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:rtype: LabelTensor
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"""
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@property
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def dataset(self):
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"""
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Returns the dataset for training.
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"""
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return self._dataset
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@property
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def initial_population_size(self):
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"""
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Returns the dataset for training size.
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"""
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return self._initial_population_size
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def _update_points(self, solver):
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"""
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Performs the refinement of the points.
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:param PINNInterface solver: The solver object.
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"""
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new_points = {}
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for name in self._condition_to_update:
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current_points = self.dataset.conditions_dict[name]["input"]
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new_points[name] = {
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"input": self.sample(current_points, name, solver)
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}
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self.dataset.update_data(new_points)
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def _compute_population_size(self, conditions):
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"""
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Computes the number of points in the dataset for each condition.
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:param conditions: List of conditions to compute the number of points.
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:return: Dictionary with the population size for each condition.
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:rtype: dict
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"""
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return {
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cond: len(self.dataset.conditions_dict[cond]["input"])
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for cond in conditions
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}
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